Calculator
Melting Point Predictor
The melting point predictor can be used for predicting the boiling point and melting point of a given compound (in Celsius). This predictor utilizes a regression-based, gradient boosting model that takes in a SMILES string and outputs the predicted melting point of the compound.
NOTE: This does not provide the experimentally determined melting point of a compound, but is rather an approximation computed given similar compounds. This predictor has an error value of about 40 degrees celsius. This calculator can be used when the melting point of the compound is unknown. For experimentally determined melting points check https://www.aatbio.com/data-sets/boiling-point-bp-and-melting-point-mp-reference-table
NOTE: This does not provide the experimentally determined melting point of a compound, but is rather an approximation computed given similar compounds. This predictor has an error value of about 40 degrees celsius. This calculator can be used when the melting point of the compound is unknown. For experimentally determined melting points check https://www.aatbio.com/data-sets/boiling-point-bp-and-melting-point-mp-reference-table
Feedback
Have a question or a feature request about this tool? Feel free to reach out to us and let us know! We're always looking for ways to improve!References
This online tool may be cited as follows
MLA | "Quest Predict™ Melting Point Predictor." AAT Bioquest, Inc., 5 Sep. 2025, https://www.aatbio.com/tools/predictive-modeling/melting-point-predictor. | |
APA | AAT Bioquest, Inc. (2025, September 5). Quest Predict™ Melting Point Predictor. AAT Bioquest. https://www.aatbio.com/tools/predictive-modeling/melting-point-predictor. | |
| BibTeX | EndNote | RefMan |